11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol

C24H50N2O2 — CID 173257888

IUPAC11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol
SMILESCCCCCCCCCC(O)C(N)(C=CCN)C(O)CCCCCCCCC
InChIInChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-18-22(27)24(26,20-17-21-25)23(28)19-16-14-12-10-8-6-4-2/h17,20,22-23,27-28H,3-16,18-19,21,25-26H2,1-2H3
InChIKeyMATKWZWQCRJKPH-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.20
Rot. Bonds20

About 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol

11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol (PubChem CID 173257888) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol.

Molecular Properties

Compound Name11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol
PubChem CID173257888
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Name11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol
SMILESCCCCCCCCCC(O)C(N)(C=CCN)C(O)CCCCCCCCC
InChIInChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-18-22(27)24(26,20-17-21-25)23(28)19-16-14-12-10-8-6-4-2/h17,20,22-23,27-28H,3-16,18-19,21,25-26H2,1-2H3
InChIKeyMATKWZWQCRJKPH-UHFFFAOYSA-N
XLogP5.20
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol?
The IUPAC name of 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol (CID 173257888) is 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol.
What is the SMILES notation for 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol?
The canonical SMILES for 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol is CCCCCCCCCC(O)C(N)(C=CCN)C(O)CCCCCCCCC.
What is the InChIKey of 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol?
The InChIKey is MATKWZWQCRJKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-18-22(27)24(26,20-17-21-25)23(28)19-16-14-12-10-8-6-4-2/h17,20,22-23,27-28H,3-16,18-19,21,25-26H2,1-2H3.
What are the key properties of 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol?
11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol has a molecular weight of 398.68 g/mol, XLogP of 5.20, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol is sourced from PubChem (CID 173257888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).